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Magnesium in PDB 5s9x: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917, PDB code: 5s9x was solved by A.Fiorillo, A.Ilari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.25 / 1.84
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.98, 109.24, 112.13, 90, 90, 90
R / Rfree (%) 19.5 / 23.8

Other elements in 5s9x:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 also contains other interesting chemical elements:

Bromine (Br) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 (pdb code 5s9x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917, PDB code: 5s9x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9x

Go back to Magnesium Binding Sites List in 5s9x
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg509

b:54.6
occ:1.00
 O A:PHE114 2.2 52.0 1.0
O A:THR117 2.4 51.3 1.0
O A:LEU120 2.5 52.5 1.0
OD1 A:ASP121 3.1 59.1 1.0
C A:PHE114 3.4 50.7 1.0
C A:LEU120 3.5 51.4 1.0
C A:THR117 3.6 57.8 1.0
O A:ASN115 3.6 64.6 1.0
N A:LEU120 4.0 60.4 1.0
CA A:ASN115 4.0 57.3 1.0
C A:ASN115 4.0 59.1 1.0
N A:ASN115 4.1 53.5 1.0
N A:THR117 4.2 60.3 1.0
CA A:LEU120 4.3 54.3 1.0
CG A:ASP121 4.3 64.1 1.0
CA A:THR117 4.4 58.5 1.0
N A:GLY119 4.4 59.1 1.0
N A:ASP121 4.4 51.0 1.0
O A:HOH763 4.4 47.6 1.0
CA A:PHE114 4.4 44.6 1.0
CA A:ASP121 4.5 55.6 1.0
CB A:LEU120 4.5 48.9 1.0
N A:GLU118 4.6 58.6 1.0
CA A:GLU118 4.7 63.9 1.0
C A:GLU118 4.8 60.6 1.0
CB A:THR117 4.9 60.6 1.0
N A:ASP116 5.0 56.6 1.0
C A:GLY119 5.0 62.3 1.0
CB A:PHE114 5.0 41.7 1.0

Magnesium binding site 2 out of 2 in 5s9x

Go back to Magnesium Binding Sites List in 5s9x
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1899842917 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg507

b:51.6
occ:1.00
 O B:HOH608 1.8 50.1 1.0
O B:THR117 2.0 49.4 1.0
O B:PHE114 2.2 51.5 1.0
O B:HOH725 2.4 53.4 1.0
O B:LEU120 2.4 49.1 1.0
C B:THR117 3.1 61.2 1.0
C B:LEU120 3.4 48.0 1.0
C B:PHE114 3.5 56.9 1.0
N B:LEU120 3.9 52.5 1.0
N B:THR117 4.0 62.3 1.0
N B:GLU118 4.0 50.1 1.0
CA B:THR117 4.0 56.2 1.0
CA B:LEU120 4.1 50.3 1.0
CA B:GLU118 4.2 56.3 1.0
CA B:PHE114 4.2 53.9 1.0
CB B:LEU120 4.3 52.6 1.0
CB B:THR117 4.4 58.9 1.0
N B:ASP121 4.4 48.4 1.0
C B:GLU118 4.4 55.0 1.0
N B:GLY119 4.4 56.1 1.0
C B:ASN115 4.5 62.2 1.0
O B:ASN115 4.5 73.0 1.0
N B:ASN115 4.5 57.4 1.0
OD1 B:ASP121 4.5 56.0 1.0
CA B:ASP121 4.7 45.0 1.0
CA B:ASN115 4.7 63.4 1.0
N B:ASP116 4.8 58.5 1.0
O B:MET113 4.8 53.5 1.0
C B:ASP116 4.9 62.5 1.0
CG B:ASP121 5.0 55.3 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Sep 30 03:00:08 2024

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